N-(cyclobutylmethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 447123
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N(CC1OCCC1)CC1CCC1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCC1)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C19H25N3O4/c23-17(12-22-18(24)13-26-16-7-2-8-20-19(16)22)21(10-14-4-1-5-14)11-15-6-3-9-25-15/h2,7-8,14-15H,1,3-6,9-13H2
• InChIKey: OLAKHODIEZDIQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclobutylmethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(cyclobutylmethyl)-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: N-(cyclobutylmethyl)-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.195835
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.75733185
• LogD (pH = 7.4): 0.75758964
• Log P: 0.7575929
• Molar Refractivity: 94.5955 cm^3
• Polarizability: 36.85441 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.38
• LOG S: -2.15
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 6